[2-(4-tert-butylphenoxy)pyridin-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(4-tert-butylphenoxy)pyridin-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(4-tert-butylphenoxy)-3-pyridyl]methanone CAS Name: [2-(4-tert-butylphenoxy)-3-pyridinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(4-tert-butylphenoxy)pyridin-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(4-tert-butylphenoxy)-3-pyridyl]methanone Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-27(2,3)22-11-13-23(14-12-22)32-25-24(10-7-15-28-25)26(31)30-18-16-29(17-19-30)20-21-8-5-4-6-9-21/h4-15H,16-20H2,1-3H3